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6-[1,1'-biphenyl]-4-yl-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID HNcQC26Fi8G
InChI InChI=1S/C22H18N6S/c1-2-5-14(6-3-1)15-9-11-16(12-10-15)19-13-29-22-26-25-21(28(22)27-19)20-17-7-4-8-18(17)23-24-20/h1-3,5-6,9-12H,4,7-8,13H2,(H,23,24)
InChIKey ONITXSGHAUDNND-UHFFFAOYSA-N
Mol Weight 398.49 g/mol
Molecular Formula C22H18N6S
Exact Mass 398.131366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2TfStvIC9zV
Name 6-[1,1'-biphenyl]-4-yl-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18N6S/c1-2-5-14(6-3-1)15-9-11-16(12-10-15)19-13-29-22-26-25-21(28(22)27-19)20-17-7-4-8-18(17)23-24-20/h1-3,5-6,9-12H,4,7-8,13H2,(H,23,24)
InChIKey ONITXSGHAUDNND-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4129
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E00833; Labnumber: GRES-32860; SBI_ID: SBI-004131
Temperature 308 °C